G858-0312 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

G858-0312 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
G858-0312 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0312
2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G858-0312

Molecular Formula

C26H24ClN3O3S (C26 H24 ClN3 O3 S)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3-methoxyphenyl)-4-oxo-N-(propan-2-yl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)NC(c(cc1)cc(N=C(N2c3cc(OC)ccc3)SCc3cccc(Cl)c3)c1C2=O)=O

InChI

InChI=1S/C26H24ClN3O3S/c1-16(2)28-24(31)18-10-11-22-23(13-18)29-26(34-15-17-6-4-7-19(27)12-17)30(25(22)32)20-8-5-9-21(14-20)33-3/h4-14,16H,15H2,1-3H3,(H,28,31)

InChI Key

YZEPVTRNKCCYCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-5.04

Polar Surface Area

56.362

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with G858-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0312?
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What is the minimum amount of G858-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0312
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G858-0312 available by request